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What rules are used to determine the substructures considered a fragment?

This question goes straight to the heart of how the machine learning algorithm works which we believe is unique to Sarah Nexus. We can’t give a detailed explanation here, but we will be presenting and publishing on this in full very soon. Essentially a fragmentation method chops the query compound into ‘relevant’ fragments, a recursive learning method identifies those fragments with significant discriminating power (for activity over inactivity) and the model arranges those ‘interesting’ fragments into a network of hypotheses (or nodes). A prediction then identifies relevant hypotheses and uses this information to inform a prediction.